1-(2-cyclobutylphenyl)-N-propylheptan-1-amine

C20H33N — CID 105052307

IUPAC1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccccc1C1CCC1
InChIInChI=1S/C20H33N/c1-3-5-6-7-15-20(21-16-4-2)19-14-9-8-13-18(19)17-11-10-12-17/h8-9,13-14,17,20-21H,3-7,10-12,15-16H2,1-2H3
InChIKeyXJIXESVNCFNBDS-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.97
Rot. Bonds10

About 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine

1-(2-cyclobutylphenyl)-N-propylheptan-1-amine (PubChem CID 105052307) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
PubChem CID105052307
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccccc1C1CCC1
InChIInChI=1S/C20H33N/c1-3-5-6-7-15-20(21-16-4-2)19-14-9-8-13-18(19)17-11-10-12-17/h8-9,13-14,17,20-21H,3-7,10-12,15-16H2,1-2H3
InChIKeyXJIXESVNCFNBDS-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclobutylphenyl)-N-methylheptan-1-amine
CID 105052148
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine (CID 105052307) is 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine?
The InChIKey is XJIXESVNCFNBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-5-6-7-15-20(21-16-4-2)19-14-9-8-13-18(19)17-11-10-12-17/h8-9,13-14,17,20-21H,3-7,10-12,15-16H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine?
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.97, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-N-propylheptan-1-amine is sourced from PubChem (CID 105052307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).